2-[4-(hydroxymethyl)piperidin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone

C14H23F3N2O2 — CID 87017173

IUPAC2-[4-(hydroxymethyl)piperidin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCC(CO)CC1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H23F3N2O2/c15-14(16,17)12-2-1-5-19(8-12)13(21)9-18-6-3-11(10-20)4-7-18/h11-12,20H,1-10H2
InChIKeyNHVVFPRHWXDCBQ-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.49
Rot. Bonds3

About 2-[4-(hydroxymethyl)piperidin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone

2-[4-(hydroxymethyl)piperidin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone (PubChem CID 87017173) has the molecular formula C14H23F3N2O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)piperidin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)piperidin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
PubChem CID87017173
Molecular FormulaC14H23F3N2O2
Molecular Weight308.34 g/mol
Exact Mass308.17
IUPAC Name2-[4-(hydroxymethyl)piperidin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCC(CO)CC1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H23F3N2O2/c15-14(16,17)12-2-1-5-19(8-12)13(21)9-18-6-3-11(10-20)4-7-18/h11-12,20H,1-10H2
InChIKeyNHVVFPRHWXDCBQ-UHFFFAOYSA-N
XLogP1.49
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 71999950
2-(4-Ethyl-3,3-difluoropiperidin-1-yl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 156798850
2-(3,3-Difluoro-4-propan-2-ylpiperidin-1-yl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 156799040
2,2,2-Trifluoro-1-[4-[[4-[[1-(hydroxymethyl)cyclopropyl]methyl]piperazin-1-yl]methyl]piperidin-1-yl]ethanone
CID 176552438
2-(4-(Hydroxymethyl)piperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 51080741
2-[4-(2-Hydroxyethyl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 78894140
1-[4-(Hydroxymethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
CID 79260821
2-[(3R)-3-(2-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 97572403
2-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 97572404
1-[3-(2-Hydroxyethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
CID 103855465
2-[3-(1-Hydroxyethyl)piperidin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 109883800
1-(3,5-Dimethylpiperidin-1-yl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 109885118

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)piperidin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-[4-(hydroxymethyl)piperidin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone (CID 87017173) is 2-[4-(hydroxymethyl)piperidin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[4-(hydroxymethyl)piperidin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[4-(hydroxymethyl)piperidin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone is O=C(CN1CCC(CO)CC1)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-[4-(hydroxymethyl)piperidin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The InChIKey is NHVVFPRHWXDCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O2/c15-14(16,17)12-2-1-5-19(8-12)13(21)9-18-6-3-11(10-20)4-7-18/h11-12,20H,1-10H2.
What are the key properties of 2-[4-(hydroxymethyl)piperidin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
2-[4-(hydroxymethyl)piperidin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone has a molecular weight of 308.34 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)piperidin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 87017173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).